SCHEMBL23905149

SCHEMBL23905149

O=C1CCOc2cc(OCc3ccncc3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.77
GRM5 P41594 7/20 0.77
NPC1 O15118 1/20 0.77
ALDH1A1 P00352 1/20 0.77
HPGD P15428 1/20 0.77
NFKB1 P19838 1/20 0.77
RAB9A P51151 1/20 0.77
NFKB2 Q00653 1/20 0.77
RELA Q04206 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
MAOA P21397 2/20 0.57
BRD4 O60885 1/20 0.50
CREBBP Q92793 1/20 0.50
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29889798 0.87 MAOB (1.00) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL2326572 0.87 MAOB (1.00) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23906031 0.85 MAOB (0.74) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905168 0.85 MAOB (0.67) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23906154 0.85 MAOB (0.71) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905167 0.85 MAOB (1.00) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23906027 0.84 MAOB (0.61) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23906212 0.83 MAOB (0.68) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905853 0.83 MAOB (0.64) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL32675524 0.82 MAOB (0.68) MAOBGRM5NPC1ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed